N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C31H37N9O2 — CID 67259527

IUPACN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C31H37N9O2/c1-3-38-11-9-23(34-38)21-40-26-6-4-5-25(29(26)30(35-40)22-7-8-22)33-31(41)27-20-32-28-19-24(10-12-39(27)28)42-18-17-37-15-13-36(2)14-16-37/h4-6,9-12,19-20,22H,3,7-8,13-18,21H2,1-2H3,(H,33,41)
InChIKeyMFKOCGITFPBMOA-UHFFFAOYSA-N
MW567.70 g/mol
LogP3.70
Rot. Bonds10

About N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259527) has the molecular formula C31H37N9O2 and a molecular weight of 567.70 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259527
Molecular FormulaC31H37N9O2
Molecular Weight567.70 g/mol
Exact Mass567.31
IUPAC NameN-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C31H37N9O2/c1-3-38-11-9-23(34-38)21-40-26-6-4-5-25(29(26)30(35-40)22-7-8-22)33-31(41)27-20-32-28-19-24(10-12-39(27)28)42-18-17-37-15-13-36(2)14-16-37/h4-6,9-12,19-20,22H,3,7-8,13-18,21H2,1-2H3,(H,33,41)
InChIKeyMFKOCGITFPBMOA-UHFFFAOYSA-N
XLogP3.70
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.70
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259527) is N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCn1ccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MFKOCGITFPBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N9O2/c1-3-38-11-9-23(34-38)21-40-26-6-4-5-25(29(26)30(35-40)22-7-8-22)33-31(41)27-20-32-28-19-24(10-12-39(27)28)42-18-17-37-15-13-36(2)14-16-37/h4-6,9-12,19-20,22H,3,7-8,13-18,21H2,1-2H3,(H,33,41).
What are the key properties of N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.70 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).